1-[(4-methyl-3-nitro-phenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 1-[(4-methyl-3-nitro-phenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 5-hydroxy-1-[(4-methyl-3-nitro-phenyl)methyl]indole-2-carboxylic acid CAS Name: 5-hydroxy-1-[(4-methyl-3-nitrophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-hydroxy-1-[(4-methyl-3-nitrophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-hydroxy-1-(4-methyl-3-nitro-benzyl)indole-2-carboxylic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3)O)C=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3)O)C=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5/c1-10-2-3-11(6-15(10)19(23)24)9-18-14-5-4-13(20)7-12(14)8-16(18)17(21)22/h2-8,20H,9H2,1H3,(H,21,22)